(4-dimethylsilylphenyl)-trimethylsilane;2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane;tetrafluoromethane

C22H29F17O3Si2 — CID 160523779

IUPAC(4-dimethylsilylphenyl)-trimethylsilane;2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane;tetrafluoromethane
SMILESCCOCC(F)(OC(OCC(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.C[SiH](C)c1ccc([Si](C)(C)C)cc1.FC(F)(F)F
InChIInChI=1S/C11H20Si2.C10H9F13O3.CF4/c1-12(2)10-6-8-11(9-7-10)13(3,4)5;1-2-24-3-5(11,8(15,16)17)26-7(9(18,19)20,10(21,22)23)25-4-6(12,13)14;2-1(3,4)5/h6-9,12H,1-5H3;2-4H2,1H3;
InChIKeyQUPZFCOGCCYQOZ-UHFFFAOYSA-N
MW720.61 g/mol
LogP8.07
Rot. Bonds9

About (4-dimethylsilylphenyl)-trimethylsilane;2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane;tetrafluoromethane

(4-dimethylsilylphenyl)-trimethylsilane;2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane;tetrafluoromethane (PubChem CID 160523779) has the molecular formula C22H29F17O3Si2 and a molecular weight of 720.61 g/mol. Its IUPAC name is (4-dimethylsilylphenyl)-trimethylsilane;2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane;tetrafluoromethane.

Molecular Properties

Compound Name(4-dimethylsilylphenyl)-trimethylsilane;2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane;tetrafluoromethane
PubChem CID160523779
Molecular FormulaC22H29F17O3Si2
Molecular Weight720.61 g/mol
Exact Mass720.14
IUPAC Name(4-dimethylsilylphenyl)-trimethylsilane;2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane;tetrafluoromethane
SMILESCCOCC(F)(OC(OCC(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.C[SiH](C)c1ccc([Si](C)(C)C)cc1.FC(F)(F)F
InChIInChI=1S/C11H20Si2.C10H9F13O3.CF4/c1-12(2)10-6-8-11(9-7-10)13(3,4)5;1-2-24-3-5(11,8(15,16)17)26-7(9(18,19)20,10(21,22)23)25-4-6(12,13)14;2-1(3,4)5/h6-9,12H,1-5H3;2-4H2,1H3;
InChIKeyQUPZFCOGCCYQOZ-UHFFFAOYSA-N
XLogP8.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.61
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-dimethylsilylphenyl)-trimethylsilane;2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane;tetrafluoromethane?
The IUPAC name of (4-dimethylsilylphenyl)-trimethylsilane;2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane;tetrafluoromethane (CID 160523779) is (4-dimethylsilylphenyl)-trimethylsilane;2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane;tetrafluoromethane.
What is the SMILES notation for (4-dimethylsilylphenyl)-trimethylsilane;2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane;tetrafluoromethane?
The canonical SMILES for (4-dimethylsilylphenyl)-trimethylsilane;2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane;tetrafluoromethane is CCOCC(F)(OC(OCC(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.C[SiH](C)c1ccc([Si](C)(C)C)cc1.FC(F)(F)F.
What is the InChIKey of (4-dimethylsilylphenyl)-trimethylsilane;2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane;tetrafluoromethane?
The InChIKey is QUPZFCOGCCYQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20Si2.C10H9F13O3.CF4/c1-12(2)10-6-8-11(9-7-10)13(3,4)5;1-2-24-3-5(11,8(15,16)17)26-7(9(18,19)20,10(21,22)23)25-4-6(12,13)14;2-1(3,4)5/h6-9,12H,1-5H3;2-4H2,1H3;.
What are the key properties of (4-dimethylsilylphenyl)-trimethylsilane;2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane;tetrafluoromethane?
(4-dimethylsilylphenyl)-trimethylsilane;2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane;tetrafluoromethane has a molecular weight of 720.61 g/mol, XLogP of 8.07, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-dimethylsilylphenyl)-trimethylsilane;2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane;tetrafluoromethane is sourced from PubChem (CID 160523779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).